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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2bte

Legend

Pocket colors by molecule type

 RNA

 Protein

 DNA

These colors appear when a pocket is selected (the structure fades to show the pocket surface). Colors from the molecule-type palette (RNA / protein / DNA).

System information

Experimental technique X-ray
Experimental resolution 2.90
System mass 260.23 kDa
Deposition year 2005
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 2bte
Reference Tukalo Michael, Yaremchuk Anna, Fukunaga Ryuya, Yokoyama Shigeyuki, Cusack Stephen. 2005. The crystal structure of leucyl-tRNA synthetase complexed with tRNALeu in the post-transfer–editing conformation Nature Structural & Molecular Biology
Equivalence Class NR_all_23989.3
BGSU version: 4.52

Pockets List

Legend

Cell colors for SiteScore and D Score:

 Favourable

 Intermediate

 Unfavourable

 Not available

ScoreThresholdMeaning
SiteScore< 0.8Non-drug binding site
SiteScore0.8 – 1.0Potential drug binding site
SiteScore> 1.0Promising binding site
D Score< 0.83Undruggable
D Score0.83 – 0.98Difficult
D Score> 0.98Druggable

Tick a pocket below to highlight it in the 3D structure above.

Compound 2AD
Residue . / 1893
Chain U / A
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains B/B: tRNA
RNA family global tRNA
Volume 408.86 Å3
Hydrophobicity 0.663
Hydrophilicity 1.086
Buriedness 0.794
Don/acc character 0.851
SiteScore 1.064
D Score 1.062
Kd

Compound 2AD
Residue . / 1895
Chain OA / D
Non-redundant True
Interacting RNA chains D/E
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains D/E: tRNA
RNA family global tRNA
Volume 389.31 Å3
Hydrophobicity 0.684
Hydrophilicity 0.998
Buriedness 0.796
Don/acc character 0.814
SiteScore 1.074
D Score 1.092
Kd